Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.70 |
| ▸ | MET | P08581 | 9/20 | 0.70 |
| ▸ | FLT1 | P17948 | 2/20 | 0.67 |
| ▸ | FLT4 | P35916 | 1/20 | 0.67 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | KIT | P10721 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.50 |
| ▸ | BRAF | P15056 | 3/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4447930 | 0.95 | KDR (0.70) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL1258959 | 0.87 | KDR (0.65) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL12892681 | 0.86 | KDR (0.65) | KDRMETFLT1FLT4AURKA | |
| Hydrochloric Acid SCHEMBL1260024 | 0.86 | KDR (0.65) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL1257985 | 0.86 | KDR (0.59) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL1260492 | 0.86 | MET (0.60) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL14949677 | 0.86 | KDR (0.58) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL1259967 | 0.83 | MET (1.00) | KDRMETFLT1FLT4AURKA | |
| SCHEMBL1259136 | 0.83 | KDR (0.56) | KDRMETFLT1FLT4AURKA | |
| Hydrochloric Acid SCHEMBL29363414 | 0.83 | MET (1.00) | KDRMETFLT1FLT4AURKA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |